methyl 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C13H10F3NO2S MolecularWeight: 301.28421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=C1)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CNC(=C1)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H10F3NO2S/c1-19-12(18)8-5-11(17-7-8)20-10-4-2-3-9(6-10)13(14,15)16/h2-7,17H,1H3